7HG4
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1696844792
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-19 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.918076 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.700, 42.290, 160.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.920 - 1.570 |
R-factor | 0.20756 |
Rwork | 0.206 |
R-free | 0.24360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.929 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.370 | 1.610 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.061 | 1.627 |
Rmeas | 0.067 | 1.806 |
Rpim | 0.027 | 0.776 |
Total number of observations | 250939 | 15680 |
Number of reflections | 40620 | 2943 |
<I/σ(I)> | 12.3 | 0.9 |
Completeness [%] | 100.0 | |
Redundancy | 6.2 | 5.3 |
CC(1/2) | 0.999 | 0.373 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 28% PEG MME 2000; 0.15 M ammonium sulfate; 0.1 M sodium acetate pH 4.6 |